13-(4-chlorophenyl)-8-[3-(dimethylamino)propylamino]-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
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![13-(4-chlorophenyl)-8-[3-(dimethylamino)propylamino]-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/43227c02d92043f4b2423416beb6907a.png "13-(4-chlorophenyl)-8-[3-(dimethylamino)propylamino]-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one")
13-(4-chlorophenyl)-8-[3-(dimethylamino)propylamino]-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
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CAS No:
496022-24-3
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Formula:
C24H22ClN5OS
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Chemical Name:
13-(4-chlorophenyl)-8-[3-(dimethylamino)propylamino]-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
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Synonyms:
9-(4-chlorophenyl)-5-{[3-(dimethylamino)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one;MLS000662075;ZINC1803300;STL305603;AKOS001057648;MCULE-5646819067;SMR000292721;ST50049663;Z31223297;13-(4-chlorophenyl)-8-{[3-(dimethylamino)propyl]amino}-15-thia-9,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),2(7),3,5,8,12(16),13-heptaen-11-one;496022-24-3;5-{[3-(dimethylamino)propyl]amino}-9-(4-chlorophenyl)-7-hydrophthalazino[2,1-a ]thiopheno[2,3-d]pyrimidin-8-one
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CAS No:
13-(4-chlorophenyl)-8-[3-(dimethylamino)propylamino]-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one Basic Attributes
464.0 g/mol
463.1233592 g/mol
Computed Properties
Molecular Weight:464.0
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:463.1233592
Monoisotopic Mass:463.1233592
Topological Polar Surface Area:88.5
Heavy Atom Count:32
Complexity:766
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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